2,5-bis(2-methyloxiran-2-yl)oxane

C11H18O3 — CID 139728257

IUPAC2,5-bis(2-methyloxiran-2-yl)oxane
SMILESCC1(C2CCC(C3(C)CO3)OC2)CO1
InChIInChI=1S/C11H18O3/c1-10(6-13-10)8-3-4-9(12-5-8)11(2)7-14-11/h8-9H,3-7H2,1-2H3
InChIKeyKMZWYPMVRRUVKU-UHFFFAOYSA-N
MW198.26 g/mol
LogP1.36
Rot. Bonds2

About 2,5-bis(2-methyloxiran-2-yl)oxane

2,5-bis(2-methyloxiran-2-yl)oxane (PubChem CID 139728257) has the molecular formula C11H18O3 and a molecular weight of 198.26 g/mol. Its IUPAC name is 2,5-bis(2-methyloxiran-2-yl)oxane.

Molecular Properties

Compound Name2,5-bis(2-methyloxiran-2-yl)oxane
PubChem CID139728257
Molecular FormulaC11H18O3
Molecular Weight198.26 g/mol
Exact Mass198.13
IUPAC Name2,5-bis(2-methyloxiran-2-yl)oxane
SMILESCC1(C2CCC(C3(C)CO3)OC2)CO1
InChIInChI=1S/C11H18O3/c1-10(6-13-10)8-3-4-9(12-5-8)11(2)7-14-11/h8-9H,3-7H2,1-2H3
InChIKeyKMZWYPMVRRUVKU-UHFFFAOYSA-N
XLogP1.36
TPSA34.29 Ų
H-Bond Donors
H-Bond Acceptors3
Rotatable Bonds2
Heavy Atoms14
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500198.26
LogP ≤ 51.36
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'Three-membered_heterocycle', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of 2,5-bis(2-methyloxiran-2-yl)oxane?
The IUPAC name of 2,5-bis(2-methyloxiran-2-yl)oxane (CID 139728257) is 2,5-bis(2-methyloxiran-2-yl)oxane.
What is the SMILES notation for 2,5-bis(2-methyloxiran-2-yl)oxane?
The canonical SMILES for 2,5-bis(2-methyloxiran-2-yl)oxane is CC1(C2CCC(C3(C)CO3)OC2)CO1.
What is the InChIKey of 2,5-bis(2-methyloxiran-2-yl)oxane?
The InChIKey is KMZWYPMVRRUVKU-UHFFFAOYSA-N. The full InChI is InChI=1S/C11H18O3/c1-10(6-13-10)8-3-4-9(12-5-8)11(2)7-14-11/h8-9H,3-7H2,1-2H3.
What are the key properties of 2,5-bis(2-methyloxiran-2-yl)oxane?
2,5-bis(2-methyloxiran-2-yl)oxane has a molecular weight of 198.26 g/mol, XLogP of 1.36, 2 rotatable bonds, 0 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for 2,5-bis(2-methyloxiran-2-yl)oxane is sourced from PubChem (CID 139728257), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).